trans-PdBr(PPh3)2(5-bromo-2-thienyl) | 191535-46-3

• 英文名称: trans-PdBr(PPh3)2(5-bromo-2-thienyl)
• CAS: 191535-46-3
• 化学式: C₄₀H₃₂Br₂P₂PdS
• 分子量: 872.936
• InChiKey: CRSCWNDSLPBWBZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2,3-二溴噻吩 、 四(三苯基膦)钯 以 苯 为溶剂， 以88%的产率得到trans-PdBr(PPh3)2(5-bromo-2-thienyl)
  参考文献：
  名称：

  σ-Thienyl complexes of palladium(II), trans-PdBr(C4H4-nBrn-1S-C)(PPh3)2 (n = 1–4), from oxidative addition of bromothiophenes to Pd(PPh3)4. X-ray structural identification of key intermediates of catalytic debromination of 2-bromothiophene and tetrabromothiophene

  摘要：

  Oxidative addition reactions of Pd(PPh3)(4) with bromothiophenes C4H(4-n)Br(n)S (n=1-4) occur readily at RT to give sigma-thienyl complexes trans-PdBr(C4H4-nBrn-1S-C)(PPh3)(2) in yields greater than or equal to 85%. The products are intermediates in the regioselective reduction of bromothiophenes catalyzed by Pd(O). Palladation invariably occurs at the carbon adjacent to the thienyl sulfur. Single crystal X-ray crystallographic determination was carried out on PdBr(2-thienyl)(PPh3)(2), 1, and PdBr(3,4,5-tribromo-2-thienyl)(PPh3)(2), 6. Crystal data for 1: space group Pbcn, a = 19.354(1), b = 10.760(1), c = 16.451(1)Angstrom, Z = 4, 3106 reflections, R = 0.0614; for 6: space group P2(1)/n, a = 11.361(2), b = 13.049(3), c = 26.670(5)Angstrom, beta = 102.00(3)degrees, Z = 4, 3577 reflections, R = 0.0375. Reduction of PdBr(3,4-dibromo-2-thienyl)(PPh3)(2),5, by NaBH4 gives 2,3-dibromothiophene.

  DOI：

  10.1016/s0022-328x(96)06876-3